Vitas-M small molecule compound
2-{2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}-5-nitrobenzonitrile
Catalog ID
STK764105
SMILES COc1cc(ccc1Oc1ccc(cc1C#N)[N+](=O)[O-])/C=C/1\Sc2c(C1=O)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H14N2O5S MW 430.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N2O5S/c1-29-20-10-14(11-22-23(26)17-4-2-3-5-21(17)31-22)6-8-19(20)30-18-9-7-16(25(27)28)12-15(18)13-24/h2-12H,1H3/b22-11-InChIKey
MGBIFJBBQLLBCJ-JJFYIABZSA-NSynonyms
2(2methoxy4((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenoxy)5nitrobenzonitrile
2(2METHOXY4((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENOXY)5NITROBENZONITRILE
COC1=C(C=CC(=C1)C=C2C(=O)C3=CC=CC=C3S2)OC4=C(C=C(C=C4)(N+)(=O)(O))C#N
COc1cc(ccc1Oc1ccc(cc1C#N)(N+)(=O)(O))C=C1Sc2c(C1=O)cccc2
InChI=1SC23H14N2O5Sc129201014(112223(26)17423521(17)3122)6819(20)30189716(25(27)28)1215(18)1324h212H1H3b2211
MFCD01873743
ZINC000012419618
ZINC12419618
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